1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene

C269H524 — CID 160594246

IUPAC1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene
SMILESCCCCCCCCC1(CCCCCCCC)C=CC(CCCCCCCC)(CCCCCCCC)C1.CCCCCCCCC1=C(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)C1.CCCCCCCCC1=C(CCCCCCCC)C(CCCCCCCC)CC1.CCCCCCCCCC1(CCCCCCCCC)C=CC(CCCCCCCCC)(CCCCCCCCC)C1.CCCCCCCCCC1=C(CCCCCCCCC)C(CCCCCCCCC)(CCCCCCCCC)C(CCCCCCCCC)C1.CCCCCCCCCC1=C(CCCCCCCCC)C(CCCCCCCCC)CC1.CCCCCCCCCCC1=C(CCCCCCCCCC)C(CCCCCCCCCC)CC1
InChIInChI=1S/C50H98.C45H88.C41H80.C37H72.C35H68.C32H62.C29H56/c1-6-11-16-21-26-31-36-41-47-46-48(42-37-32-27-22-17-12-7-2)50(44-39-34-29-24-19-14-9-4,45-40-35-30-25-20-15-10-5)49(47)43-38-33-28-23-18-13-8-3;1-6-11-16-21-26-31-36-42-41-43(37-32-27-22-17-12-7-2)45(39-34-29-24-19-14-9-4,40-35-30-25-20-15-10-5)44(42)38-33-28-23-18-13-8-3;1-5-9-13-17-21-25-29-33-40(34-30-26-22-18-14-10-6-2)37-38-41(39-40,35-31-27-23-19-15-11-7-3)36-32-28-24-20-16-12-8-4;1-5-9-13-17-21-25-29-36(30-26-22-18-14-10-6-2)33-34-37(35-36,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;1-4-7-10-13-16-19-22-25-28-33-31-32-34(29-26-23-20-17-14-11-8-5-2)35(33)30-27-24-21-18-15-12-9-6-3;1-4-7-10-13-16-19-22-25-30-28-29-31(26-23-20-17-14-11-8-5-2)32(30)27-24-21-18-15-12-9-6-3;1-4-7-10-13-16-19-22-27-25-26-28(23-20-17-14-11-8-5-2)29(27)24-21-18-15-12-9-6-3/h48H,6-46H2,1-5H3;43H,6-41H2,1-5H3;37-38H,5-36,39H2,1-4H3;33-34H,5-32,35H2,1-4H3;33H,4-32H2,1-3H3;30H,4-29H2,1-3H3;27H,4-26H2,1-3H3
InChIKeyRDKOKBMZULUUQM-UHFFFAOYSA-N
MW3759.15 g/mol
LogP101.78
Rot. Bonds207

About 1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene

1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene (PubChem CID 160594246) has the molecular formula C269H524 and a molecular weight of 3759.15 g/mol. Its IUPAC name is 1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene.

Molecular Properties

Compound Name1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene
PubChem CID160594246
Molecular FormulaC269H524
Molecular Weight3759.15 g/mol
Exact Mass3756.10
IUPAC Name1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene
SMILESCCCCCCCCC1(CCCCCCCC)C=CC(CCCCCCCC)(CCCCCCCC)C1.CCCCCCCCC1=C(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)C1.CCCCCCCCC1=C(CCCCCCCC)C(CCCCCCCC)CC1.CCCCCCCCCC1(CCCCCCCCC)C=CC(CCCCCCCCC)(CCCCCCCCC)C1.CCCCCCCCCC1=C(CCCCCCCCC)C(CCCCCCCCC)(CCCCCCCCC)C(CCCCCCCCC)C1.CCCCCCCCCC1=C(CCCCCCCCC)C(CCCCCCCCC)CC1.CCCCCCCCCCC1=C(CCCCCCCCCC)C(CCCCCCCCCC)CC1
InChIInChI=1S/C50H98.C45H88.C41H80.C37H72.C35H68.C32H62.C29H56/c1-6-11-16-21-26-31-36-41-47-46-48(42-37-32-27-22-17-12-7-2)50(44-39-34-29-24-19-14-9-4,45-40-35-30-25-20-15-10-5)49(47)43-38-33-28-23-18-13-8-3;1-6-11-16-21-26-31-36-42-41-43(37-32-27-22-17-12-7-2)45(39-34-29-24-19-14-9-4,40-35-30-25-20-15-10-5)44(42)38-33-28-23-18-13-8-3;1-5-9-13-17-21-25-29-33-40(34-30-26-22-18-14-10-6-2)37-38-41(39-40,35-31-27-23-19-15-11-7-3)36-32-28-24-20-16-12-8-4;1-5-9-13-17-21-25-29-36(30-26-22-18-14-10-6-2)33-34-37(35-36,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;1-4-7-10-13-16-19-22-25-28-33-31-32-34(29-26-23-20-17-14-11-8-5-2)35(33)30-27-24-21-18-15-12-9-6-3;1-4-7-10-13-16-19-22-25-30-28-29-31(26-23-20-17-14-11-8-5-2)32(30)27-24-21-18-15-12-9-6-3;1-4-7-10-13-16-19-22-27-25-26-28(23-20-17-14-11-8-5-2)29(27)24-21-18-15-12-9-6-3/h48H,6-46H2,1-5H3;43H,6-41H2,1-5H3;37-38H,5-36,39H2,1-4H3;33-34H,5-32,35H2,1-4H3;33H,4-32H2,1-3H3;30H,4-29H2,1-3H3;27H,4-26H2,1-3H3
InChIKeyRDKOKBMZULUUQM-UHFFFAOYSA-N
XLogP101.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds207
Heavy Atoms269
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003759.15
LogP ≤ 5101.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene?
The IUPAC name of 1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene (CID 160594246) is 1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene.
What is the SMILES notation for 1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene?
The canonical SMILES for 1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene is CCCCCCCCC1(CCCCCCCC)C=CC(CCCCCCCC)(CCCCCCCC)C1.CCCCCCCCC1=C(CCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C(CCCCCCCC)C1.CCCCCCCCC1=C(CCCCCCCC)C(CCCCCCCC)CC1.CCCCCCCCCC1(CCCCCCCCC)C=CC(CCCCCCCCC)(CCCCCCCCC)C1.CCCCCCCCCC1=C(CCCCCCCCC)C(CCCCCCCCC)(CCCCCCCCC)C(CCCCCCCCC)C1.CCCCCCCCCC1=C(CCCCCCCCC)C(CCCCCCCCC)CC1.CCCCCCCCCCC1=C(CCCCCCCCCC)C(CCCCCCCCCC)CC1.
What is the InChIKey of 1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene?
The InChIKey is RDKOKBMZULUUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H98.C45H88.C41H80.C37H72.C35H68.C32H62.C29H56/c1-6-11-16-21-26-31-36-41-47-46-48(42-37-32-27-22-17-12-7-2)50(44-39-34-29-24-19-14-9-4,45-40-35-30-25-20-15-10-5)49(47)43-38-33-28-23-18-13-8-3;1-6-11-16-21-26-31-36-42-41-43(37-32-27-22-17-12-7-2)45(39-34-29-24-19-14-9-4,40-35-30-25-20-15-10-5)44(42)38-33-28-23-18-13-8-3;1-5-9-13-17-21-25-29-33-40(34-30-26-22-18-14-10-6-2)37-38-41(39-40,35-31-27-23-19-15-11-7-3)36-32-28-24-20-16-12-8-4;1-5-9-13-17-21-25-29-36(30-26-22-18-14-10-6-2)33-34-37(35-36,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;1-4-7-10-13-16-19-22-25-28-33-31-32-34(29-26-23-20-17-14-11-8-5-2)35(33)30-27-24-21-18-15-12-9-6-3;1-4-7-10-13-16-19-22-25-30-28-29-31(26-23-20-17-14-11-8-5-2)32(30)27-24-21-18-15-12-9-6-3;1-4-7-10-13-16-19-22-27-25-26-28(23-20-17-14-11-8-5-2)29(27)24-21-18-15-12-9-6-3/h48H,6-46H2,1-5H3;43H,6-41H2,1-5H3;37-38H,5-36,39H2,1-4H3;33-34H,5-32,35H2,1-4H3;33H,4-32H2,1-3H3;30H,4-29H2,1-3H3;27H,4-26H2,1-3H3.
What are the key properties of 1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene?
1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene has a molecular weight of 3759.15 g/mol, XLogP of 101.78, 207 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4-penta(nonyl)cyclopentene;1,2,3,3,4-pentaoctylcyclopentene;3,3,5,5-tetra(nonyl)cyclopentene;3,3,5,5-tetraoctylcyclopentene;1,2,3-tri(nonyl)cyclopentene;1,2,3-trioctylcyclopentene;1,2,3-tris-decylcyclopentene is sourced from PubChem (CID 160594246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).